HMDB0031596 RDKit 3D Methyl 5-methylhexanoate 26 25 0 0 0 0 0 0 0 0999 V2000 4.6241 0.5312 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3031 0.0599 -0.7314 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3751 0.1501 0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 0.6798 1.3766 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0262 -0.3800 0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 -0.2232 1.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2456 -0.7670 0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 -0.1462 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3407 -0.8577 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 1.3018 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 0.5644 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2303 -0.2197 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6427 1.5310 -0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -1.4583 -0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5288 0.1326 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1452 0.8226 1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5592 -0.8203 2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -1.8588 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8885 -0.7490 1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4326 -0.3257 -1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8183 -0.6733 -1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2309 -1.9479 -0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -0.4700 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9497 1.5928 -0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3871 1.9662 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7891 1.5647 0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 5 14 1 0 5 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 M END